BioLiP

PDB

BioLiP

PDB CCD ID:

1PB

Number of entries in BioLiP:

Chemical formula:

C16 H16

InChI:

InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+

InChIKey:

NJJOGKAVAWZLAU-NTUHNPAUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCC=Cc2ccccc2
ACDLabs 10.04	C(=C/c1ccccc1)\CCc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC\C=C\c2ccccc2
CACTVS 3.341	C(Cc1ccccc1)C=Cc2ccccc2
CACTVS 3.341	C(Cc1ccccc1)/C=C/c2ccccc2

Name:

1,4-DIPHENYL-2-BUTENE;
[(1E)-4-PHENYLBUT-1-ENYL]BENZENE

ZINC:

ZINC000014880527

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).